Data-Driven Analysis of the Relaxation Dynamics of Helical Polymers Grafted to Surfaces

Polymer helices contain a precise arrangement of monomers and functional groups along an axis, leading to unique chemical and physical properties with particular uses in biological and medical applications. Combining helical structures with inorganic nanoparticles can help us improve nanocomposite mechanical properties, for example. However, controlling the dispersion of these modified nanoparticles is vital for realizing such enhancements. Here, we study the relationship between the secondary structure of a polymer, its conformation and its relaxation dynamics when anchored to a surface. We focus specifically on the effects of surface curvature, chain length, and grafting density on the fundamental motions of the monomers and their corresponding relaxation times. To accomplish this, we utilized a data-driven approach that captures the relaxation dynamics of the polymers without a priori knowledge of their expected motions (e.g., their equations of motion).